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Home > Fluorides > 113743-12-7
113743-12-7 | Pyrimidine, 5-nonyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-
CAS No: 113743-12-7 Catalog No: AG0009JH MDL No:
Product Description
Catalog Number:
AG0009JH
Chemical Name:
Pyrimidine, 5-nonyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-
CAS Number:
113743-12-7
Molecular Formula:
C27H31F3N2O
Molecular Weight:
456.5430
IUPAC Name:
5-nonyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidine
InChI:
InChI=1S/C27H31F3N2O/c1-2-3-4-5-6-7-8-9-22-18-31-26(32-19-22)23-12-16-25(17-13-23)33-20-21-10-14-24(15-11-21)27(28,29)30/h10-19H,2-9,20H2,1H3
InChI Key:
SKTIMQTWOFKSDN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cnc(nc1)c1ccc(cc1)OCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.239g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.553g/mol
Monoisotopic Mass:
456.239g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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